BDBM50298050 CHEMBL557327::N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-(cyclohexylmethyl)pyrimidine-4,6-diamine

SMILES: C[C@H](Nc1cc(NCC2CCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1

InChI Key: InChIKey=VDGFBSMXUFOVAV-UQBPGWFLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298050   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50298050 (CHEMBL557327 | N4-((2S,3S)-3-(3-bromophenyl)-4-(4-...) Show SMILES C[C@H](Nc1cc(NCC2CCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C27H32BrClN4/c1-19(33-27-16-26(31-18-32-27)30-17-21-6-3-2-4-7-21)25(22-8-5-9-23(28)15-22)14-20-10-12-24(29)13-11-20/h5,8-13,15-16,18-19,21,25H,2-4,6-7,14,17H2,1H3,(H2,30,31,32,33)/t19-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70.5	n/a	n/a	n/a	n/a	n/a	n/a
Green Cross Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from cannabinoid CB1 receptor in Sprague-Dawley rat cerebellar membrane by liquid scintillation spectrometry				Bioorg Med Chem Lett 19: 4692-7 (2009) Article DOI: 10.1016/j.bmcl.2009.06.069 BindingDB Entry DOI: 10.7270/Q2PK0G65
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